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排序方式: 共有158条查询结果,搜索用时 46 毫秒
1.
Commodari F Sclavos G Ibrahimi S Khiat A Boulanger Y 《Magnetic resonance in chemistry : MRC》2005,43(6):444-450
The NMR-derived structure of estrogen (17beta-estradiol, E2), the drug of choice for postmenopausal women, was compared with a recent literature crystal x-ray structure of Fab-bound E2. 1H and 13C NMR spectra of E2 were acquired in DMSO-d6. Assignments were obtained from an analysis of DQF-COSY, TOCSY, HETCOR, HMQC and HMBC 2D NMR spectra. The 1H and 13C NMR assignments are the first reported for E2 in DMSO-d6. Two solution structures, S1 and S2, were obtained with molecular modeling using NOE constraints. S1 overlaps with the crystal structure for all rings. S2 shows prominent differences in the C-ring (C9--C11--C12--C13) segment, which deviates from a chair conformation, and excellent overlap in the A-, B- and D-rings of E2. The C-ring in S2 adopts a boat conformation as opposed to a chair conformation in the x-ray and S1 structures. The S2 structure is about 6 degrees more twisted than the bound x-ray and S1 models. The S1, S2 and x-ray structures had ring bowing values of 10.1 +/- 0.3, 11 +/- 1 and 10.37 degrees , respectively. Of the 100 solution conformers generated, 83 had S1 conformation and 17 had S2 conformation, with average internal energies of 112 +/- 2 and 141 +/- 2 kcal mol(-1), respectively. The 100 S1- and S2- derived conformers showed a r.m.s.d. of 0.72 A for all atoms. The x-ray, S1 and S2 C18--O17 distances were 2.93, 2.92 +/- 0.01 and 2.93 +/- 0.01 A, respectively, and the O3--O17 distances were 11.06, 11.18 +/- 0.12, and 10.89 +/- 0.05 A, respectively. 相似文献
2.
New low-molecular-weight gelators based on l-valine and l-isoleucine gelators, which have a positively charged terminal group, can gel not only pure water and aqueous solutions containing inorganic acids and salts but also some organic solvents and oils. 相似文献
3.
Yasuyoshi Miki Sanae Yagi Hiroko Hachiken Masazumi Ikeda 《Journal of heterocyclic chemistry》1993,30(4):1045-1046
Reaction of pyrazolo[1,5-a]pyridines with aldehydes in the presence of trifluoroacetic acid gave bis[pyrazolo[1,5-a]pyrid-3-yl)methanes in high yields. 相似文献
4.
Commodari F Khiat A Ibrahimi S Brizius AR Kalkstein N 《Magnetic resonance in chemistry : MRC》2005,43(7):567-572
The NMR-derived solution structure of trans-3,4',5-trihydroxystilbene (resveratrol) was compared with two recent literature crystal x-ray structures, resveratrol in complex with human transthyretin (TTR-RES) from 1DVS.pdb and resveratrol bound to chalcone synthase (CHS-RES) from 1CGZ.pdb. 1H and 13C NMR spectra of resveratrol were acquired in DMSO-d6. Assignments were obtained from an analysis of DQF-COSY, TOCSY, DEPT, HMQC/HSQC, HMBC and INADEQUATE NMR spectra. Past 1H and 13C NMR literature assignments are corrected. The dihedral angle 2-1-1'-2' provides an indication of the relative spatial orientation of the two phenolic rings. Values of 1.62, - 54.10 and 12.6 +/- 1.1 degrees were found for the 1DVS.pdb, 1CGZ.pdb and NMR resveratrol structures, respectively. The 1DVS.pdb resveratrol structure is 'flat' with the two phenolic rings along the same plane. The 1CGZ.pdb structure has these two rings almost orthogonal to each other, and the NMR structure has these two rings much closer to being along the same plane. The angles 1-alpha--alpha' and 1'-alpha'--alpha are along the same trace and of similar magnitude for the 1CGZ.pdb and NMR resveratrol structures. For the 1DVS.pdb resveratrol structure, these angles are about 7-10 degrees greater, with alpha and alpha' being 180 degrees out-of-phase from the other two structures. The alpha rings did not overlap, with the NMR result representing a 'median model' of the two x-ray structures. 相似文献
5.
Y. Muramatsu K. Tagami S. Uchida 《Journal of Radioanalytical and Nuclear Chemistry》1994,188(4):305-311
Measurements of some selected radionuclides were carried out in rain waters collected from Ibaraki Prefecture, Japan, following the nuclear accident at Tomsk-7, Russian Federation, in April 1993. The concentrations obtained for artificial radionuclides were90Sr1.8 mBq l–1,137Cs0.1 Bq l–1,131I0.1 Bq l–1 and129I4 Bq l–1. Uranium (238U) concentrations in rainfalls in April 1993 were 6.3–39 ng l–1. These data were compared to control values obtained previously and there was no appreciable influence on the radioactivity levels in Japan after the Tomsk-7 accident. Since only limited data on the concentrations of129I and uranium in rain water are available, these new analytical results contribute to understanding the background levels for these nuclides. 相似文献
6.
K. Tagami S. Uchida M. García-León 《Journal of Radioanalytical and Nuclear Chemistry》1998,234(1-2):147-151
Results of99Tc measurements between radiation and non-radiation counting methods were compared using four radiation sources for which99Tc has been previously determined with a gas-flow proportional counter or a GM counter. Each99Tc source consisted of a stainless steel planchet bound by mylar films. Seaweeds collected from the Irish Sea were analyzed
and99Tc was electroplated on the planchet. The99Tc in each sample was separated and measured again by inductively coupled plasma mass spectrometry (ICP-MS). Tc was continuously
removed from each sample with 2M HNO3 and 2M NaOH. After the solution containing Tc was adjusted to 0.1M HNO3, Tc was extracted on a novel extraction chromatographic resin to separate it from Ru. The total recoveries for Tc on the
planchet samples were almost the same with an average of 91%. The results of99Tc measurements by both radiation and non-radiation counting methods agreed well with each other. 相似文献
7.
Sanae Kurosu 《Annals of Global Analysis and Geometry》2012,42(3):333-347
We give a characterization for an affine immersion from an almost product manifold the almost product structure of which is adjoint or skew-adjoint with respect to its affine fundamental form by the relative nullity distribution. 相似文献
8.
9.
Catherine Debiemme-Chouvy Sanae Haskouri Hubert Cachet 《Applied Surface Science》2007,253(12):5506-5510
In solution, hypochlorous acid (HOCl) reacts with organic matter and notably with protein side-chains. In this study, HOCl was produced by an electrochemical way, by oxidation of chloride ions at a transparent tin dioxide electrode in the presence of a protein, the bovine serum albumin (BSA). A thick irregular layer is formed at the electrode when HOCl is produced at the SnO2 surface. Indeed, SEM analyses show that an important deposit is formed during the anodic polarization of SnO2 in the presence of chloride ions and proteins. Actually, two phenomena take place on the one hand the chlorination of the proteins due to the reaction of HOCl with some protein side-chains and on the other hand the aggregation of proteins onto the SnO2 surface. The present X-ray photoelectron spectroscopy study points out the cross-linking of BSA molecules via formation of inter molecular sulfonamide groups. It also shows that the BSA chlorination is due on the one hand to the formation of sulfonyl chloride groups (-SO2Cl) and on the other hand to formation of chloramine groups (N-Cl). The Cl2p and S2p photo-peak intensities allowed us to quantify the chloramines. It is found that, one BSA entity immobilized onto the SnO2 surface contains about 50 chloramine groups. 相似文献
10.
Inside Back Cover: Size‐Selective Complexation and Extraction of Endohedral Metallofullerenes with Cycloparaphenylene (Angew. Chem. Int. Ed. 12/2014) 下载免费PDF全文